2-[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]-4-(pyridin-3-ylmethyl)phthalazin-1-one

Systemtic Name: 2-[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]-4-(pyridin-3-ylmethyl)phthalazin-1-one Openeye Name: 2-[2-(3-methyl-1-piperidyl)-2-oxo-ethyl]-4-(3-pyridylmethyl)phthalazin-1-one CAS Name: 2-[2-(3-methyl-1-piperidinyl)-2-oxoethyl]-4-(3-pyridinylmethyl)-1-phthalazinone IUPAC Name: 2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-4-(pyridin-3-ylmethyl)phthalazin-1-one Traditional Name: 2-[2-keto-2-(3-methylpiperidino)ethyl]-4-(3-pyridylmethyl)phthalazin-1-one Formula: C22H24N4O2 MolecularWeight: 376.45156

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)CC4=CN=CC=C4

Isomeric SMILES

CC1CCCN(C1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)CC4=CN=CC=C4

InChI

InChI=1S/C22H24N4O2/c1-16-6-5-11-25(14-16)21(27)15-26-22(28)19-9-3-2-8-18(19)20(24-26)12-17-7-4-10-23-13-17/h2-4,7-10,13,16H,5-6,11-12,14-15H2,1H3